N-(cyclopentylmethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide

C13H24N4O2S — CID 106026928

IUPACN-(cyclopentylmethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
SMILESCCCNCc1cn[nH]c1S(=O)(=O)NCC1CCCC1
InChIInChI=1S/C13H24N4O2S/c1-2-7-14-9-12-10-15-17-13(12)20(18,19)16-8-11-5-3-4-6-11/h10-11,14,16H,2-9H2,1H3,(H,15,17)
InChIKeyULSQWUAAZLFTHM-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.38
Rot. Bonds8

About N-(cyclopentylmethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide

N-(cyclopentylmethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 106026928) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
PubChem CID106026928
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN-(cyclopentylmethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
SMILESCCCNCc1cn[nH]c1S(=O)(=O)NCC1CCCC1
InChIInChI=1S/C13H24N4O2S/c1-2-7-14-9-12-10-15-17-13(12)20(18,19)16-8-11-5-3-4-6-11/h10-11,14,16H,2-9H2,1H3,(H,15,17)
InChIKeyULSQWUAAZLFTHM-UHFFFAOYSA-N
XLogP1.38
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopentylmethyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
CID 106027031
N-(2-fluoroethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 114267237
N-(2-butoxyethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106017591
N-(2-methoxypropyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 102701565
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106378211
N-(5-methylhexyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 115327593
N-[2-(2,2-difluoroethoxy)ethyl]-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106091908
N-(1H-imidazol-2-ylmethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106069311
4-(ethylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 106094891
N-(2-methylbutan-2-yl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106031472
N-(4-methylpiperazin-1-yl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106075528
N-(4-methylpentan-2-yl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106028644

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(cyclopentylmethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide (CID 106026928) is N-(cyclopentylmethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(cyclopentylmethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(cyclopentylmethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide is CCCNCc1cn[nH]c1S(=O)(=O)NCC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is ULSQWUAAZLFTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-2-7-14-9-12-10-15-17-13(12)20(18,19)16-8-11-5-3-4-6-11/h10-11,14,16H,2-9H2,1H3,(H,15,17).
What are the key properties of N-(cyclopentylmethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide?
N-(cyclopentylmethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 1.38, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106026928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).